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Glassy dynamics in a confined monatomic fluid

Krishnan, SH and Ayappa, KG (2012) Glassy dynamics in a confined monatomic fluid. In: PHYSICAL REVIEW E, 86 (1, Par).

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Official URL: http://dx.doi.org/10.1103/PhysRevE.86.011504

Abstract

Molecular dynamic simulations of a strongly inhomogeneous system reveals that a single-component soft-sphere fluid can behave as a fragile glass former due to confinement. The self-intermediate scattering function, F-s(k,t), of a Lennard-Jones fluid confined in slit-shaped pores, which can accomodate two to four fluid layers, exhibits a two-step relaxation at moderate temperatures. The mean-squared displacement data are found to follow time-temperature superposition and both the self-diffusivity and late a relaxation times exhibit power-law divergences as the fluid is cooled. The system possesses a crossover temperature and follows the scalings of mode coupling theory for the glass transition. The temperature dependence of the self-diffusivity can be expressed using the Vogel-Fulcher-Tammann equation, and estimates of the fragility index of the system indicates a fragile glass former. At lower temperatures, signatures of additional relaxation processes are observed in the various dynamical quantities with a three-step relaxation observed in the F-s(k,t).

Item Type: Journal Article
Additional Information: Copy right for this article belongs to American Physical Society
Department/Centre: Division of Mechanical Sciences > Chemical Engineering
Date Deposited: 21 Aug 2012 03:53
Last Modified: 21 Aug 2012 03:53
URI: http://eprints.iisc.ernet.in/id/eprint/44961

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